共 50 条
- [21] QM/MM/Continuum style TDDFT molecular dynamics simulation methods ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
- [22] Exploring PfDHFR reaction surface: A combined molecular dynamics and QM/MM analysis JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2019, 87 : 76 - 88
- [26] Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian 9TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS (ESPA 2014), 2016, 11 : 225 - 232
- [28] Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian Theoretical Chemistry Accounts, 2015, 134
- [29] Mixed QM/MM methods for modeling protein active site chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U391 - U391